1-(2-methoxyacetyl)oxyethyl 2-hydroxyacetate

C7H12O6 — CID 176891960

IUPAC1-(2-methoxyacetyl)oxyethyl 2-hydroxyacetate
SMILESCOCC(=O)OC(C)OC(=O)CO
InChIInChI=1S/C7H12O6/c1-5(12-6(9)3-8)13-7(10)4-11-2/h5,8H,3-4H2,1-2H3
InChIKeyRASAHHDZGKIUJW-UHFFFAOYSA-N
MW192.17 g/mol
LogP-0.94
Rot. Bonds5

About 1-(2-methoxyacetyl)oxyethyl 2-hydroxyacetate

1-(2-methoxyacetyl)oxyethyl 2-hydroxyacetate (PubChem CID 176891960) has the molecular formula C7H12O6 and a molecular weight of 192.17 g/mol. Its IUPAC name is 1-(2-methoxyacetyl)oxyethyl 2-hydroxyacetate.

Molecular Properties

Compound Name1-(2-methoxyacetyl)oxyethyl 2-hydroxyacetate
PubChem CID176891960
Molecular FormulaC7H12O6
Molecular Weight192.17 g/mol
Exact Mass192.06
IUPAC Name1-(2-methoxyacetyl)oxyethyl 2-hydroxyacetate
SMILESCOCC(=O)OC(C)OC(=O)CO
InChIInChI=1S/C7H12O6/c1-5(12-6(9)3-8)13-7(10)4-11-2/h5,8H,3-4H2,1-2H3
InChIKeyRASAHHDZGKIUJW-UHFFFAOYSA-N
XLogP-0.94
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyacetyl)oxyethyl 2-hydroxyacetate?
The IUPAC name of 1-(2-methoxyacetyl)oxyethyl 2-hydroxyacetate (CID 176891960) is 1-(2-methoxyacetyl)oxyethyl 2-hydroxyacetate.
What is the SMILES notation for 1-(2-methoxyacetyl)oxyethyl 2-hydroxyacetate?
The canonical SMILES for 1-(2-methoxyacetyl)oxyethyl 2-hydroxyacetate is COCC(=O)OC(C)OC(=O)CO.
What is the InChIKey of 1-(2-methoxyacetyl)oxyethyl 2-hydroxyacetate?
The InChIKey is RASAHHDZGKIUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O6/c1-5(12-6(9)3-8)13-7(10)4-11-2/h5,8H,3-4H2,1-2H3.
What are the key properties of 1-(2-methoxyacetyl)oxyethyl 2-hydroxyacetate?
1-(2-methoxyacetyl)oxyethyl 2-hydroxyacetate has a molecular weight of 192.17 g/mol, XLogP of -0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyacetyl)oxyethyl 2-hydroxyacetate is sourced from PubChem (CID 176891960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).